Publications
Publications by Research Area
Publications by Division
X Author: Anubhav Jain
2025
Horton, Matthew K, Patrick Huck, Ruo Xi Yang, Jason M Munro, Shyam Dwaraknath, Alex M Ganose, Ryan Kingsbury, Mingjian Wen, Jimmy X Shen, Tyler S Mathis, Aaron D Kaplan, Karlo Berket, Janosh Riebesell, Janine George, Andrew S Rosen, Evan W. C Spotte-Smith, Matthew J McDermott, Orion A Cohen, Alex Dunn, Matthew C Kuner, Gian-Marco Rignanese, Guido Petretto, David Waroquiers, Sinead M Griffin, Jeffrey B Neaton, Daryl C Chrzan, Mark D Asta, Geoffroy Hautier, Shreyas Cholia, Gerbrand Ceder, Shyue Ping Ong, Anubhav Jain, and Kristin A Persson."Accelerated data-driven materials science with the Materials Project."Nature Materials
24.10 (2025) 1522-1532. DOI
Chen, Xin, Baojie Li, Jennifer L Braid, Brandon Byford, Dylan J Colvin, Andrew Glaws, Norman Jost, Benjamin Pierce, Salil Rabade, Martin Springer, and Anubhav Jain."Open data sets for assessing photovoltaic system reliability."Applied Energy
395 (2025) 126132. DOI
Chen, Xin, Todd Karin, and Anubhav Jain."Analyzing the impact of design factors on solar module thermomechanical durability using interpretable machine learning techniques."Applied Energy
377 (2025) 124462. DOI
Riebesell, Janosh, Rhys E. A Goodall, Philipp Benner, Yuan Chiang, Bowen Deng, Gerbrand Ceder, Mark D Asta, Alpha A Lee, Anubhav Jain, and Kristin A Persson."A framework to evaluate machine learning crystal stability predictions."Nature Machine Intelligence
7.6 (2025) 836-847. DOI
Baibakova, Viktoriia, Kevin Cruse, Michael G Taylor, Carolin M Sutter-Fella, Gerbrand Ceder, Anubhav Jain, and Samuel M Blau."Precursor reaction pathway leading to BiFeO3 formation: insights from text-mining and chemical reaction network analyses."Digital Discovery
4.6 (2025) 1602-1611. DOI
Lee, Sanghoon, Kevin Cruse, Viktoriia Baibakova, Gerbrand Ceder, and Anubhav Jain."Text-mined dataset of solid-state syntheses with impurity phases using Large Language Model."Scientific Data
12.1 (2025). DOI
2024
Jain, Anubhav, Tianzhen Hong, Mary Ann Piette, Michael D Sohn, Will Gorman, Alexandre Moreira, Lazlo Paul, Haitam Laarabi, and Maher Alghalayini."Frontiers in Energy Storage: Next-Generation Artificial Intelligence (AI)."
(2024).
2022
Baibakova, Viktoriia, Mahmoud Elzouka, Sean D Lubner, Ravi S Prasher, and Anubhav Jain."Optical emissivity dataset of multi-material heterogeneous designs generated with automated figure extractionAbstract."Scientific Data
9.1 (2022). DOI
He, Xin, Jue Wu, Zhuoying Zhu, Haodong Liu, Ning Li, Dong Zhou, Xu Hou, Jun Wang, Haowei Zhang, Dominic Bresser, Yanbao Fu, Matthew J Crafton, Bryan D McCloskey, Yan Chen, Ke An, Ping Liu, Anubhav Jain, Jie Li, Wanli Yang, Yong Yang, Martin Winter, and Robert Kostecki."Chemical and structural evolutions of Li–Mn-rich layered electrodes at different current densities."Energy & Environmental Science
15.10 (2022) 4137 - 4147. DOI
Lilley, Drew, Peiyuan Yu, Jason Ma, Anubhav Jain, and Ravi S Prasher."Thermal fluids with high specific heat capacity through reversible Diels-Alder reactions."iScience
25.1 (2022) 103540. DOI
2021
Lilley, Drew, Peiyuan Yu, Jason Ma, Anubhav Jain, and Ravi S Prasher."Thermal Fluids with High Specific Heat Capacity through Reversible Diels–Alder Reactions."iScience
(2021) 103540. DOI
Lilley, Drew, Anubhav Jain, and Ravi S Prasher."A simple model for the entropy of melting of monatomic liquids."Applied Physics Letters
118.8 (2021) 083902. DOI
2020
Park, Junsoo, Yi Xia, Alex M Ganose, Anubhav Jain, and Vidvuds Ozoliņš."High Thermoelectric Performance and Defect Energetics of Multipocketed Full Heusler Compounds."Physical Review Applied
14.2 (2020). DOI
Bartel, Christopher J, Amalie Trewartha, Qi Wang, Alexander Dunn, Anubhav Jain, and Gerbrand Ceder."A critical examination of compound stability predictions from machine-learned formation energies."npj Computational Materials
6.1 (2020). DOI
Spotte‐Smith, Evan WalterCla, Peiyuan Yu, Samuel M Blau, Ravi S Prasher, and Anubhav Jain."Aqueous Diels–Alder reactions for thermochemical storage and heat transfer fluids identified using density functional theory."Journal of Computational Chemistry
41.24 (2020) 2137 - 2150. DOI
Karin, Todd, and Anubhav Jain."Photovoltaic String Sizing Using Site-Specific Modeling."IEEE Journal of Photovoltaics
10.3 (2020) 888 - 897. DOI
Gorai, Prashun, Alex Ganose, Alireza Faghaninia, Anubhav Jain, and Vladan Stevanović."Computational discovery of promising new n-type dopable ABX Zintl thermoelectric materials."Materials Horizons
7.7 (2020) 1809 - 1818. DOI
Dylla, Maxwell T, Alexander Dunn, Shashwat Anand, Anubhav Jain, and G. G Jeffrey Snyder."Machine Learning Chemical Guidelines for Engineering Electronic Structures in Half-Heusler Thermoelectric Materials."Research
2020 (2020) 1 - 8. DOI
Smidt, Tess E, Stephanie A Mack, Sebastian E Reyes-Lillo, Anubhav Jain, and Jeffrey B Neaton."An automatically curated first-principles database of ferroelectrics."Scientific Data
7.1 (2020). DOI
Zimmermann, Nils E. R, and Anubhav Jain."Local structure order parameters and site fingerprints for quantification of coordination environment and crystal structure similarity."RSC Advances
10.10 (2020) 6063 - 6081. DOI
Mrdjenovich, David, Matthew K Horton, Joseph H Montoya, Christian M Legaspi, Shyam Dwaraknath, Vahe Tshitoyan, Anubhav Jain, and Kristin A Persson."propnet: A Knowledge Graph for Materials Science."Matter
2.2 (2020) 464 - 480. DOI
Jordan, Dirk C, Wei Luo, Anubhav Jain, Mashad U Saleh, Heidi von Korff, Yang Hu, Jean-Nicolas Jaubert, Fotis Mavromatakis, Chris Deline, Michael Deceglie, Ambarish Nag, Gregory M Kimball, Adam B Shinn, Jim J John, Aaesha A Alnuaimi, and Ammar B.A Elnosh."Reducing Interanalyst Variability in Photovoltaic Degradation Rate Assessments."IEEE Journal of Photovoltaics
10.1 (2020) 206 - 212. DOI
2019
Weston, L, V Tshitoyan, John Dagdelen, O Kononova, A Trewartha, Kristin A Persson, G Ceder, and Anubhav Jain."Named Entity Recognition and Normalization Applied to Large-Scale Information Extraction from the Materials Science Literature."Journal of Chemical Information and Modeling
59.9 (2019) 3692 - 3702. DOI
Ganose, Alex, and Anubhav Jain."Robocrystallographer: automated crystal structure text descriptions and analysisAbstract."MRS Communications
9.3 (2019) 874 - 881. DOI
Tshitoyan, Vahe, John Dagdelen, Leigh Weston, Alexander Dunn, Ziqin Rong, Olga Kononova, Kristin A Persson, Gerbrand Ceder, and Anubhav Jain."Unsupervised word embeddings capture latent knowledge from materials science literature."Nature
571.7763 (2019) 95 - 98. DOI